HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=4015",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=4013",
"results": [
{
"id": "jvasp-42640",
"created_at": "2022-09-04T14:36:17.428927Z",
"updated_at": "2022-09-04T14:36:17.428947Z",
"structure_string": "Ni2 S4\n1.0\n3.528298 -0.326599 -0.001390\n0.515009 4.583671 -0.001735\n0.002493 0.001921 5.594970\nNi S\n2 4\ndirect\n0.249901 0.249996 0.833340 Ni\n0.750102 0.750004 0.333339 Ni\n0.750015 0.932219 0.944617 S\n0.250134 0.432224 0.222045 S\n0.749865 0.567781 0.722044 S\n0.249983 0.067776 0.444617 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ni",
"S"
],
"chemical_system": "Ni-S",
"density": 4.461594532829192,
"density_atomic": 0.06562678683384998,
"volume": 91.4260820842935,
"volume_molar": 9.176345590782162,
"formula_full": "Ni2 S4",
"formula_reduced": "NiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.3194308,
"spacegroup": 58
},
{
"id": "jvasp-99450",
"created_at": "2022-09-04T14:36:35.077317Z",
"updated_at": "2022-09-04T14:36:35.077348Z",
"structure_string": "Fe4 Si2\n1.0\n2.806097 0.000000 0.000000\n0.000000 2.806097 0.000000\n0.000000 0.000000 8.284722\nFe Si\n4 2\ndirect\n0.000000 0.000000 0.827125 Fe\n0.000000 0.000000 0.172875 Fe\n0.000000 0.000000 0.500000 Fe\n0.500001 0.500001 -0.000000 Fe\n0.500001 0.500001 0.331743 Si\n0.500001 0.500001 0.668256 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"Si"
],
"chemical_system": "Fe-Si",
"density": 7.115851049314621,
"density_atomic": 0.0919746092719582,
"volume": 65.23539537154976,
"volume_molar": 6.5476122243620845,
"formula_full": "Fe4 Si2",
"formula_reduced": "Fe2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8767932,
"spacegroup": 123
},
{
"id": "jvasp-94953",
"created_at": "2022-09-04T14:36:17.378405Z",
"updated_at": "2022-09-04T14:36:17.378430Z",
"structure_string": "Sn1 B6\n1.0\n4.201072 -0.000000 0.000000\n-0.000000 4.201072 -0.000000\n-0.000000 -0.000000 4.201072\nSn B\n1 6\ndirect\n0.000000 0.000000 0.000000 Sn\n0.202251 0.500000 0.500000 B\n0.500000 0.500000 0.797749 B\n0.500000 0.500000 0.202251 B\n0.500000 0.202251 0.500000 B\n0.500000 0.797749 0.500000 B\n0.797749 0.500000 0.500000 B\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Sn",
"B"
],
"chemical_system": "B-Sn",
"density": 4.111351665413819,
"density_atomic": 0.09440992785591293,
"volume": 74.14474472095031,
"volume_molar": 6.378715561768997,
"formula_full": "Sn1 B6",
"formula_reduced": "SnB6",
"formula_anonymous": "AB6",
"energy_above_hull": 4.4688696000000006,
"spacegroup": 221
},
{
"id": "jvasp-102281",
"created_at": "2022-09-04T14:36:35.083871Z",
"updated_at": "2022-09-04T14:36:35.083888Z",
"structure_string": "K1 Mg3\n1.0\n4.776987 0.000000 2.757995\n1.592329 4.503787 2.757995\n0.000000 0.000000 5.515990\nK Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.249999 Mg\n0.500000 0.500000 0.499999 Mg\n0.750000 0.750001 0.749998 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Mg"
],
"chemical_system": "K-Mg",
"density": 1.5673403595289839,
"density_atomic": 0.03370579839063532,
"volume": 118.67394308960633,
"volume_molar": 17.866779745745966,
"formula_full": "K1 Mg3",
"formula_reduced": "KMg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.1321814999999999,
"spacegroup": 225
},
{
"id": "jvasp-36349",
"created_at": "2022-09-04T14:36:36.365625Z",
"updated_at": "2022-09-04T14:36:36.365645Z",
"structure_string": "Os1 C1\n1.0\n2.189139 2.189139 0.000000\n2.189139 0.000000 -2.189139\n0.000000 2.189139 -2.189139\nOs C\n1 1\ndirect\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Os",
"C"
],
"chemical_system": "C-Os",
"density": 16.005441091943084,
"density_atomic": 0.0953191115486434,
"volume": 20.982151087081384,
"volume_molar": 6.317873364699556,
"formula_full": "Os1 C1",
"formula_reduced": "OsC",
"formula_anonymous": "AB",
"energy_above_hull": 4.6706325,
"spacegroup": 225
},
{
"id": "jvasp-105826",
"created_at": "2022-09-04T14:36:10.421641Z",
"updated_at": "2022-09-04T14:36:10.421674Z",
"structure_string": "Np4 O6\n1.0\n5.195998 -0.010752 3.129324\n1.763153 4.887719 3.129324\n-0.015342 -0.010752 6.065544\nNp O\n4 6\ndirect\n0.363501 0.363501 0.363500 Np\n0.136499 0.136500 0.136499 Np\n0.863500 0.863501 0.863498 Np\n0.636499 0.636500 0.636498 Np\n0.750000 0.030265 0.469734 O\n0.469735 0.750000 0.030264 O\n0.030264 0.469736 0.749999 O\n0.969735 0.530265 0.249999 O\n0.530265 0.250001 0.969734 O\n0.250000 0.969736 0.530263 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Np",
"O"
],
"chemical_system": "Np-O",
"density": 11.219984815364345,
"density_atomic": 0.06472084377545446,
"volume": 154.50972849943784,
"volume_molar": 9.304793338129983,
"formula_full": "Np4 O6",
"formula_reduced": "Np2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 3.9617741,
"spacegroup": 167
},
{
"id": "jvasp-102980",
"created_at": "2022-09-04T14:36:38.991974Z",
"updated_at": "2022-09-04T14:36:38.992000Z",
"structure_string": "Sc1 Ag3\n1.0\n4.076526 0.000000 2.353583\n1.358842 3.843385 2.353583\n0.000000 0.000000 4.707167\nSc Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Ag\n0.750000 0.750001 0.749999 Ag\n0.500000 0.500001 0.499999 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sc",
"Ag"
],
"chemical_system": "Ag-Sc",
"density": 8.298396585632673,
"density_atomic": 0.05423707718124002,
"volume": 73.75028684959362,
"volume_molar": 11.103365212465743,
"formula_full": "Sc1 Ag3",
"formula_reduced": "ScAg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.3957067575,
"spacegroup": 225
},
{
"id": "jvasp-7066",
"created_at": "2022-09-04T14:36:10.416326Z",
"updated_at": "2022-09-04T14:36:10.416348Z",
"structure_string": "Al12 S18\n1.0\n3.269204 -5.662427 0.000000\n3.269204 5.662427 0.000000\n0.000000 0.000000 17.236578\nAl S\n12 18\ndirect\n0.987726 0.648029 0.549051 Al\n0.012273 0.351970 0.049051 Al\n0.660303 0.012273 0.215718 Al\n0.698336 0.003290 0.850775 Al\n0.301662 0.996709 0.350775 Al\n0.339696 0.987726 0.715718 Al\n0.003290 0.304954 0.684108 Al\n0.648029 0.660303 0.382384 Al\n0.351970 0.339696 0.882384 Al\n0.695045 0.698336 0.017440 Al\n0.996708 0.695045 0.184107 Al\n0.304954 0.301663 0.517441 Al\n0.351034 0.306603 0.662598 S\n0.712295 0.663847 0.873381 S\n0.693396 0.044430 0.995932 S\n0.341590 0.336716 0.014880 S\n0.336153 0.048448 0.206715 S\n0.955568 0.648965 0.329265 S\n0.004874 0.341591 0.181547 S\n0.648965 0.693396 0.162598 S\n0.287704 0.336152 0.373381 S\n-0.004875 0.658409 0.681547 S\n0.336716 -0.004875 0.848213 S\n0.951551 0.287704 0.540048 S\n0.306602 0.955568 0.495932 S\n0.663846 0.951551 0.706715 S\n0.048448 0.712295 0.040048 S\n0.663284 0.004874 0.348213 S\n0.044431 0.351034 0.829265 S\n0.658409 0.663283 0.514880 S\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Al",
"S"
],
"chemical_system": "Al-S",
"density": 2.344354931819302,
"density_atomic": 0.04701057598417001,
"volume": 638.1542742659009,
"volume_molar": 12.810182887416337,
"formula_full": "Al12 S18",
"formula_reduced": "Al2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.68632112,
"spacegroup": 169
},
{
"id": "jvasp-100758",
"created_at": "2022-09-04T14:36:40.058378Z",
"updated_at": "2022-09-04T14:36:40.058414Z",
"structure_string": "Ta1 P1\n1.0\n3.333348 0.000000 0.000000\n-1.666674 2.886764 0.000000\n0.000000 0.000000 3.343213\nTa P\n1 1\ndirect\n0.666667 0.333333 -0.000000 Ta\n0.000000 0.000000 0.499999 P\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"P"
],
"chemical_system": "P-Ta",
"density": 10.938768314848517,
"density_atomic": 0.062169018637379836,
"volume": 32.170364658088346,
"volume_molar": 9.686723213576865,
"formula_full": "Ta1 P1",
"formula_reduced": "TaP",
"formula_anonymous": "AB",
"energy_above_hull": 2.76687235,
"spacegroup": 187
},
{
"id": "jvasp-18596",
"created_at": "2022-09-04T14:36:38.997344Z",
"updated_at": "2022-09-04T14:36:38.997369Z",
"structure_string": "Tm1 Ag3\n1.0\n4.327487 0.000000 0.000000\n0.000000 4.327487 -0.000000\n0.000000 0.000000 4.327487\nTm Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.500000 0.000000 0.500000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tm",
"Ag"
],
"chemical_system": "Ag-Tm",
"density": 10.092116111827435,
"density_atomic": 0.04935744560936561,
"volume": 81.04147106107527,
"volume_molar": 12.201078653181545,
"formula_full": "Tm1 Ag3",
"formula_reduced": "TmAg3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0986490075,
"spacegroup": 221
},
{
"id": "jvasp-91779",
"created_at": "2022-09-04T14:36:11.606487Z",
"updated_at": "2022-09-04T14:36:11.606518Z",
"structure_string": "Eu2 As6\n1.0\n1.562457 -4.875109 1.965581\n5.898878 0.353614 0.378479\n-0.919171 5.753118 3.855476\nEu As\n2 6\ndirect\n0.352750 0.674559 0.675497 Eu\n0.647251 0.325441 0.324503 Eu\n0.775310 0.010205 0.010079 As\n0.224691 0.989796 0.989921 As\n0.647875 0.832967 0.428644 As\n0.352126 0.167034 0.571356 As\n0.948981 0.571130 0.168103 As\n0.051020 0.428870 0.831897 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Eu",
"As"
],
"chemical_system": "As-Eu",
"density": 7.003600801473577,
"density_atomic": 0.04478199688252988,
"volume": 178.64321729522783,
"volume_molar": 13.447682504639106,
"formula_full": "Eu2 As6",
"formula_reduced": "EuAs3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.9465113125,
"spacegroup": 12
},
{
"id": "jvasp-100335",
"created_at": "2022-09-04T14:36:36.152092Z",
"updated_at": "2022-09-04T14:36:36.152112Z",
"structure_string": "Tc1 Ni1\n1.0\n2.646832 -0.000000 0.000000\n-1.323415 2.292223 -0.000000\n-0.000000 -0.000000 4.217667\nTc Ni\n1 1\ndirect\n0.666667 0.333333 0.000000 Tc\n0.000000 0.000000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Tc",
"Ni"
],
"chemical_system": "Ni-Tc",
"density": 10.168204487385031,
"density_atomic": 0.07815818499140051,
"volume": 25.589130559007394,
"volume_molar": 7.705067307618,
"formula_full": "Tc1 Ni1",
"formula_reduced": "TcNi",
"formula_anonymous": "AB",
"energy_above_hull": 2.19535195,
"spacegroup": 187
}
]
}